SCHEMBL5269834

SCHEMBL5269834

C=CCC#CC1=C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.38
CYP1A2 P05177 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PTGS1 P23219 1/20 0.31
DRD3 P35462 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6368904 0.72 RARB (0.43) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL9580605 0.71 RARB (0.38) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL6685549 0.71 RARB (0.38) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL11412206 0.70 RARB (0.42) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL3346411 0.69 RARB (0.41) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL10748262 0.68 ALDH1A1 (0.43) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL10748261 0.68 ALDH1A1 (0.43) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL11372973 0.68
SCHEMBL13950640 0.67 KRAS (0.39) RARBCYP1A2HAO1ALDH1A1LMNA
SCHEMBL5267535 0.67 RARB (0.38) RARBCYP1A2HAO1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP claimed
US-7067703-B2 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2006-06-27 US claimed
US-20050014976-A1 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2005-01-20 US claimed
EP-1442014-A1 MANUFACTURE OF RETINOIDS DSM IP Assets B.V. (NL) 2004-08-04 EP claimed
WO-2003037856-A1 MANUFACTURE OF RETINOIDS DSM IP ASSETS B.V. (NL) 2003-05-08 WO claimed
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP disclosed
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP disclosed
CN-1261411-C Preparation of retinoids DSM IP ASSETS BV (NL) 2006-06-28 CN disclosed
US-7067703-B2 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2006-06-27 US disclosed
US-7067703-B2 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2006-06-27 US disclosed
CN-1582273-A Preparation of retinoids DSM IP ASSETS BV (NL) 2005-02-16 CN disclosed
US-20050014976-A1 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2005-01-20 US disclosed
US-20050014976-A1 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2005-01-20 US disclosed
EP-1442014-A1 MANUFACTURE OF RETINOIDS DSM IP Assets B.V. (NL) 2004-08-04 EP disclosed
EP-1442014-A1 MANUFACTURE OF RETINOIDS DSM IP Assets B.V. (NL) 2004-08-04 EP disclosed
WO-2003037856-A1 MANUFACTURE OF RETINOIDS DSM IP ASSETS B.V. (NL) 2003-05-08 WO disclosed
WO-2003037856-A1 MANUFACTURE OF RETINOIDS DSM IP ASSETS B.V. (NL) 2003-05-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014976-A1 Manufacture of retinoids RXRA, ALDH1A2, RXRB RARB 5/4885CYP1A2 516/4885HAO1 680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.